CID 46936524

(r)-3-amino-2-(hydroxymethyl)propanoic acid

Structural Information

Molecular Formula
C4H9NO3
SMILES
C([C@H](CO)C(=O)O)N
InChI
InChI=1S/C4H9NO3/c5-1-3(2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m1/s1
InChIKey
UHLNJPIGFDWGTP-GSVOUGTGSA-N
Compound name
(2R)-2-(aminomethyl)-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

57
Patents

119.05824 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.065516 123.8
[M+Na]+ 142.047458 129.9
[M-H]- 118.050964 121.1
[M+NH4]+ 137.092063 144.1
[M+K]+ 158.021398 129.6
[M+H-H2O]+ 102.055500 119.3
[M+HCOO]- 164.056441 144.5
[M+CH3COO]- 178.072091 166.9
[M+Na-2H]- 140.032906 127.3
[M]+ 119.05769142 120.9
[M]- 119.05878858 120.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe